CID 66962

2-pyrazoline

Structural Information

Molecular Formula

C₃H₆N₂

SMILES

C1CNN=C1

InChI

InChI=1S/C3H6N2/c1-2-4-5-3-1/h2,5H,1,3H2

InChIKey

MCGBIXXDQFWVDW-UHFFFAOYSA-N

Compound name

4,5-dihydro-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 19493
Patents: 70.0531 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	71.060376	111.1
[M+Na]+	93.042318	121.9
[M+NH4]+	88.086923	119.8
[M+K]+	109.01626	118.2
[M-H]-	69.045824	111.2
[M+Na-2H]-	91.027766	117.2
[M]+	70.052551	112.3
[M]-	70.053649	112.3

Literature stripe

literature stripe

Patent stripe

patents stripe